N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine

C11H21NS — CID 89198364

IUPACN-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C=C)CCC
InChIInChI=1S/C11H21NS/c1-5-9-12(7-3)11(6-2)8-10-13-4/h6-7,11H,2-3,5,8-10H2,1,4H3
InChIKeyJPBMCJRKRGDPNO-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.15
Rot. Bonds8

About N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine

N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine (PubChem CID 89198364) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine.

Molecular Properties

Compound NameN-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
PubChem CID89198364
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine
SMILESC=CC(CCSC)N(C=C)CCC
InChIInChI=1S/C11H21NS/c1-5-9-12(7-3)11(6-2)8-10-13-4/h6-7,11H,2-3,5,8-10H2,1,4H3
InChIKeyJPBMCJRKRGDPNO-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
The IUPAC name of N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine (CID 89198364) is N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine.
What is the SMILES notation for N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
The canonical SMILES for N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine is C=CC(CCSC)N(C=C)CCC.
What is the InChIKey of N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
The InChIKey is JPBMCJRKRGDPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-5-9-12(7-3)11(6-2)8-10-13-4/h6-7,11H,2-3,5,8-10H2,1,4H3.
What are the key properties of N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine?
N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine has a molecular weight of 199.36 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-methylsulfanyl-N-propylpent-1-en-3-amine is sourced from PubChem (CID 89198364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).